2-ethyl-2H-thiochromene

C11H12S — CID 123384261

IUPAC2-ethyl-2H-thiochromene
SMILESCCC1C=Cc2ccccc2S1
InChIInChI=1S/C11H12S/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-8,10H,2H2,1H3
InChIKeyAJJQTVAQBIWHPP-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.58
Rot. Bonds1

About 2-ethyl-2H-thiochromene

2-ethyl-2H-thiochromene (PubChem CID 123384261) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-ethyl-2H-thiochromene.

Molecular Properties

Compound Name2-ethyl-2H-thiochromene
PubChem CID123384261
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name2-ethyl-2H-thiochromene
SMILESCCC1C=Cc2ccccc2S1
InChIInChI=1S/C11H12S/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-8,10H,2H2,1H3
InChIKeyAJJQTVAQBIWHPP-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-2H-thiochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-thiochromene-2-thiol
CID 87476320
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
10,10a-dihydrobenzo[b][1]benzothiepine
CID 70380636
2-ethenyl-1-ethyl-2H-quinoline
CID 130346368
ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
CID 142049429
2-benzyl-1,2-benzothiazine
CID 154184832
CID 18688288
CID 18688288
lithium;1,2-benzothiazepine;hydroxide
CID 157392864
1,7-diethyl-1H-indene
CID 139796128
2-methyl-2,3-dihydro-1,4-benzothiazepine
CID 139715140
7H-benzo[7]annulen-7-ol
CID 130126400
methyl 2-[5-(4-methylphenyl)-2-(2H-thiochromen-2-yl)-1,3-oxazol-4-yl]acetate
CID 142178747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2H-thiochromene?
The IUPAC name of 2-ethyl-2H-thiochromene (CID 123384261) is 2-ethyl-2H-thiochromene.
What is the SMILES notation for 2-ethyl-2H-thiochromene?
The canonical SMILES for 2-ethyl-2H-thiochromene is CCC1C=Cc2ccccc2S1.
What is the InChIKey of 2-ethyl-2H-thiochromene?
The InChIKey is AJJQTVAQBIWHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-8,10H,2H2,1H3.
What are the key properties of 2-ethyl-2H-thiochromene?
2-ethyl-2H-thiochromene has a molecular weight of 176.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2H-thiochromene is sourced from PubChem (CID 123384261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).